#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cey n ASP 3 N 0.00 -0.95 -0.96 0.00 9.92 -1.26 -4.83 116.55 118.47 1cey n ASP 3 Ca 0.00 0.88 0.05 0.00 -0.53 0.00 0.00 54.79 55.19 1cey n ASP 3 Cb 0.00 -1.12 0.19 0.00 -0.64 0.00 0.00 41.12 39.55 1cey n ASP 3 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1cey n LYS 4 N 0.53 2.45 -2.70 -1.24 4.76 -1.26 -4.26 118.16 116.44 1cey n LYS 4 Ca 0.11 -1.52 -0.05 0.00 -2.87 0.00 0.00 58.31 53.99 1cey n LYS 4 Cb 0.41 -1.59 0.11 0.00 -1.84 0.00 0.00 35.03 32.12 1cey n LYS 4 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 1cey n GLU 5 N 0.49 1.30 -2.21 1.97 0.28 -1.26 -3.17 120.64 118.04 1cey n GLU 5 Ca 0.14 -1.89 -0.43 0.00 -0.16 0.00 0.00 57.16 54.81 1cey n GLU 5 Cb 0.53 -0.13 -0.02 0.00 1.43 0.00 0.00 31.44 33.24 1cey n GLU 5 CO 0.00 0.00 0.00 -1.17 -0.16 0.00 0.00 177.13 175.80 1cey s LEU 6 N -3.59 3.68 -0.29 -1.84 2.96 -1.26 -4.87 118.68 113.47 1cey s LEU 6 Ca 0.18 1.20 -0.40 0.00 -0.22 0.00 0.00 54.13 54.90 1cey s LEU 6 Cb 0.42 -3.53 -0.15 0.00 0.50 0.00 0.00 46.19 43.42 1cey s LEU 6 CO -0.09 -1.41 1.81 0.29 -1.32 0.00 0.00 176.35 175.63 1cey n LYS 7 N 7.96 1.13 -4.19 1.98 5.02 -1.26 -4.80 118.16 124.00 1cey n LYS 7 Ca 0.18 0.40 -0.26 0.00 -2.02 0.00 0.00 58.31 56.62 1cey n LYS 7 Cb 0.47 -2.13 -0.07 0.00 -0.02 0.00 0.00 35.03 33.28 1cey n LYS 7 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1cey s PHE 8 N 4.02 2.90 -0.27 2.13 0.08 -0.71 -1.61 117.98 124.51 1cey s PHE 8 Ca 1.00 -0.12 -0.03 0.00 0.12 0.00 0.00 56.93 57.90 1cey s PHE 8 Cb -1.06 -1.39 0.09 0.00 -0.57 0.00 0.00 43.02 40.09 1cey s PHE 8 CO 0.64 0.53 0.10 -1.17 -0.10 0.00 0.00 175.22 175.22 1cey s LEU 9 N -3.08 1.30 -0.57 -0.37 2.96 -1.07 -1.52 118.68 116.33 1cey s LEU 9 Ca 0.29 -1.29 -0.22 0.00 -0.22 0.00 0.00 54.13 52.69 1cey s LEU 9 Cb -0.09 -0.59 0.06 0.00 0.50 0.00 0.00 46.19 46.07 1cey s LEU 9 CO 0.20 -0.40 0.83 0.68 -1.32 0.00 0.00 176.35 176.34 1cey s VAL 10 N 1.87 4.57 -0.41 1.68 -7.23 -1.04 0.08 120.40 119.91 1cey s VAL 10 Ca 0.07 -0.23 -0.16 0.00 -1.81 0.00 0.00 61.98 59.85 1cey s VAL 10 Cb -0.17 -4.49 0.02 0.00 0.56 0.00 0.00 36.38 32.30 1cey s VAL 10 CO -0.25 -1.10 0.38 -0.69 -0.31 0.00 0.00 175.10 173.14 1cey s VAL 11 N 3.44 5.16 -0.07 1.32 1.01 -0.66 -2.62 120.40 127.98 1cey s VAL 11 Ca 0.22 -0.44 -0.31 0.00 0.00 0.00 0.00 61.98 61.45 1cey s VAL 11 Cb -0.17 -3.99 0.12 0.00 0.00 0.00 0.00 36.38 32.34 1cey s VAL 11 CO 0.14 -0.36 0.99 1.51 0.00 0.00 0.00 175.10 177.38 1cey s ASP 12 N 1.76 -0.30 0.00 3.32 1.47 -1.18 -3.21 116.67 118.53 1cey s ASP 12 Ca 0.09 0.03 0.00 0.00 1.18 0.00 0.00 52.55 53.86 1cey s ASP 12 Cb -0.18 0.31 0.00 0.00 -0.34 0.00 0.00 42.92 42.71 1cey s ASP 12 CO 0.12 -0.48 0.00 -0.67 0.68 0.00 0.00 175.17 174.82 1cey n ASP 13 N -0.11 0.00 -0.10 2.11 2.03 -1.26 -4.64 116.55 114.58 1cey n ASP 13 Ca -0.06 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.25 1cey n ASP 13 Cb 0.60 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.00 1cey n ASP 13 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 1cey n PHE 14 N 0.00 -0.64 -1.24 -0.67 -0.00 -1.26 -4.59 117.46 109.06 1cey n PHE 14 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 1cey n PHE 14 Cb 0.00 0.06 0.00 0.00 -0.00 0.00 0.00 39.48 39.54 1cey n PHE 14 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 1cey n SER 15 N -3.74 0.00 0.00 -2.13 7.64 -1.26 -4.83 113.62 109.30 1cey n SER 15 Ca 0.00 -1.23 0.00 0.00 1.01 0.00 0.00 58.87 58.65 1cey n SER 15 Cb 0.00 -0.05 0.00 0.00 -1.01 0.00 0.00 64.21 63.15 1cey n SER 15 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 1cey n THR 16 N 0.00 0.00 0.12 0.44 5.66 -1.26 -4.93 114.28 114.31 1cey n THR 16 Ca 0.00 0.00 -0.05 0.00 -3.05 0.00 0.00 64.05 60.95 1cey n THR 16 Cb 0.55 0.38 -0.02 0.00 -1.55 0.00 0.00 70.33 69.68 1cey n THR 16 CO 0.00 0.00 0.00 -0.03 -3.05 0.00 0.00 175.07 171.99 1cey h MET 17 N 0.00 -0.31 -1.19 1.09 -1.53 -1.88 -1.05 114.93 110.06 1cey h MET 17 Ca 0.00 0.02 0.35 0.00 -3.44 0.00 0.00 59.70 56.63 1cey h MET 17 Cb 0.19 0.07 -0.11 0.00 -0.55 0.00 0.00 31.60 31.21 1cey h MET 17 CO 0.00 -0.21 0.78 0.00 0.14 0.00 0.00 176.91 177.62 1cey h ARG 18 N -0.46 0.21 -0.29 0.39 -0.00 -1.87 0.57 114.38 112.93 1cey h ARG 18 Ca -0.03 -0.01 -0.16 0.00 -0.50 0.00 0.00 59.98 59.28 1cey h ARG 18 Cb 0.25 -0.05 -0.00 0.00 0.00 0.00 0.00 29.97 30.17 1cey h ARG 18 CO 0.05 0.14 -0.42 -0.09 0.00 0.00 0.00 179.97 179.65 1cey h ARG 19 N 0.22 0.80 0.01 0.04 2.43 -1.90 -2.02 114.38 113.96 1cey h ARG 19 Ca 0.70 -0.47 0.03 0.00 -0.81 0.00 0.00 59.98 59.42 1cey h ARG 19 Cb 2.08 0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 31.64 1cey h ARG 19 CO -0.33 1.11 -0.19 0.82 -1.51 0.00 0.00 179.97 179.86 1cey h ILE 20 N 0.57 0.55 -0.38 1.20 2.04 0.15 -2.30 117.51 119.34 1cey h ILE 20 Ca 0.03 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.87 1cey h ILE 20 Cb 1.02 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 37.63 1cey h ILE 20 CO 0.10 0.00 0.16 -0.37 0.00 0.00 0.00 178.15 178.04 1cey h VAL 21 N -0.31 1.19 -0.57 1.67 -1.51 -1.45 0.01 116.25 115.28 1cey h VAL 21 Ca 0.05 -0.56 0.10 0.00 -1.23 0.00 0.00 66.70 65.06 1cey h VAL 21 Cb 0.38 0.85 -0.11 0.00 -2.13 0.00 0.00 31.29 30.28 1cey h VAL 21 CO -0.17 0.20 -0.32 0.03 -1.23 0.00 0.00 177.57 176.09 1cey h ARG 22 N 0.47 -0.16 0.52 5.19 3.08 -0.98 0.21 114.38 122.72 1cey h ARG 22 Ca 0.13 0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.16 1cey h ARG 22 Cb 0.17 0.04 0.01 0.00 0.08 0.00 0.00 29.97 30.26 1cey h ARG 22 CO -0.01 -0.10 -0.25 -0.97 -1.07 0.00 0.00 179.97 177.56 1cey h ASN 23 N -0.16 -0.59 -0.99 7.04 -0.73 -1.26 -2.46 115.58 116.42 1cey h ASN 23 Ca 0.23 -0.06 0.09 0.00 1.87 0.00 0.00 56.30 58.43 1cey h ASN 23 Cb 0.54 0.15 -0.12 0.00 0.27 0.00 0.00 38.32 39.16 1cey h ASN 23 CO -0.66 -0.24 -0.58 0.25 -0.37 0.00 0.00 177.43 175.84 1cey h LEU 24 N -0.99 -2.14 -0.46 0.34 5.85 -0.28 0.49 115.31 118.12 1cey h LEU 24 Ca -0.07 0.33 0.08 0.00 0.84 0.00 0.00 57.88 59.06 1cey h LEU 24 Cb 0.62 0.95 -0.07 0.00 0.37 0.00 0.00 40.66 42.53 1cey h LEU 24 CO 0.12 -0.23 0.06 -0.07 -0.34 0.00 0.00 178.44 177.97 1cey h LEU 25 N -0.01 -0.08 -0.77 2.25 3.38 -0.64 -0.70 115.31 118.75 1cey h LEU 25 Ca 0.17 0.09 0.07 0.00 0.09 0.00 0.00 57.88 58.30 1cey h LEU 25 Cb 0.42 0.14 -0.06 0.00 0.09 0.00 0.00 40.66 41.25 1cey h LEU 25 CO -0.94 -0.01 0.44 0.11 0.09 0.00 0.00 178.44 178.14 1cey h LYS 26 N 0.18 0.77 -0.45 1.13 1.57 0.27 0.13 116.57 120.17 1cey h LYS 26 Ca 0.23 -0.05 0.13 0.00 -1.87 0.00 0.00 60.65 59.09 1cey h LYS 26 Cb 0.32 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 1cey h LYS 26 CO -0.33 0.51 0.32 0.93 -0.57 0.00 0.00 179.45 180.31 1cey h GLU 27 N 0.79 0.00 0.15 3.15 5.08 0.11 -2.81 114.58 121.06 1cey h GLU 27 Ca 0.35 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.70 1cey h GLU 27 Cb 0.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1cey h GLU 27 CO -0.20 0.00 -0.07 -0.07 -1.00 0.00 0.00 179.01 177.66 1cey h LEU 28 N 0.00 -0.17 0.00 1.33 4.07 -0.39 -3.48 115.31 116.66 1cey h LEU 28 Ca 0.21 0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.18 1cey h LEU 28 Cb 0.86 0.05 0.00 0.00 1.08 0.00 0.00 40.66 42.65 1cey h LEU 28 CO -0.00 0.15 0.00 0.61 -1.08 0.00 0.00 178.44 178.12 1cey n GLY 29 N 1.13 0.00 3.42 0.83 0.00 -0.84 -5.13 105.19 104.61 1cey n GLY 29 Ca -0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 1cey n GLY 29 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1cey s PHE 30 N 0.00 2.62 -0.41 1.61 0.08 -1.15 -4.20 117.98 116.52 1cey s PHE 30 Ca 0.00 -0.28 0.10 0.00 0.12 0.00 0.00 56.93 56.87 1cey s PHE 30 Cb 0.00 -1.61 0.31 0.00 -0.57 0.00 0.00 43.02 41.15 1cey s PHE 30 CO 0.00 0.09 0.68 0.27 -0.10 0.00 0.00 175.22 176.16 1cey n ASN 31 N 2.45 1.07 -2.97 1.36 0.23 -1.19 -4.05 115.26 112.16 1cey n ASN 31 Ca -0.17 -2.98 0.04 0.00 -0.53 0.00 0.00 54.58 50.94 1cey n ASN 31 Cb 0.52 -0.62 0.00 0.00 -2.08 0.00 0.00 39.78 37.60 1cey n ASN 31 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 1cey s ASN 32 N -2.10 -0.26 -0.05 0.53 2.47 -1.26 -4.98 114.94 109.29 1cey s ASN 32 Ca 0.39 -0.04 -0.15 0.00 0.42 0.00 0.00 52.86 53.48 1cey s ASN 32 Cb 0.27 0.79 0.03 0.00 -1.45 0.00 0.00 41.25 40.89 1cey s ASN 32 CO -0.09 -0.04 0.34 0.54 -3.72 0.00 0.00 177.10 174.13 1cey s VAL 33 N 2.53 0.04 0.00 -5.21 0.11 -1.26 -1.74 120.40 114.86 1cey s VAL 33 Ca 0.23 -0.32 0.00 0.00 -2.93 0.00 0.00 61.98 58.96 1cey s VAL 33 Cb 0.01 -0.60 0.00 0.00 -1.53 0.00 0.00 36.38 34.26 1cey s VAL 33 CO -0.19 -0.18 0.00 -0.62 -3.33 0.00 0.00 175.10 170.78 1cey n GLU 34 N 1.73 2.97 -3.75 1.54 -0.58 -0.58 -4.96 120.64 117.01 1cey n GLU 34 Ca -0.19 0.00 -0.10 0.00 -0.42 0.00 0.00 57.16 56.45 1cey n GLU 34 Cb 0.56 0.00 -0.06 0.00 -0.57 0.00 0.00 31.44 31.37 1cey n GLU 34 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1cey s GLU 35 N -0.40 0.93 0.03 3.49 2.02 -1.26 -2.51 118.70 121.00 1cey s GLU 35 Ca 0.00 -0.78 0.00 0.00 0.02 0.00 0.00 54.97 54.21 1cey s GLU 35 Cb 0.00 0.40 -0.00 0.00 0.10 0.00 0.00 34.13 34.62 1cey s GLU 35 CO 0.00 -0.33 0.03 0.00 0.02 0.00 0.00 175.26 174.99 1cey n ALA 36 N -0.03 0.02 0.00 5.21 0.00 -1.08 -4.94 120.51 119.70 1cey n ALA 36 Ca -0.16 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.12 1cey n ALA 36 Cb 0.62 0.13 0.00 0.00 0.00 0.00 0.00 19.45 20.21 1cey n ALA 36 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1cey n GLU 37 N -0.05 6.34 -3.68 0.00 0.00 -1.26 -3.10 120.64 118.88 1cey n GLU 37 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 57.16 57.19 1cey n GLU 37 Cb 0.05 -0.46 -0.00 0.00 0.00 0.00 0.00 31.44 31.03 1cey n GLU 37 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.13 177.29 1cey s ASP 38 N -0.92 -0.04 0.19 -1.84 1.47 -1.26 -4.56 116.67 109.71 1cey s ASP 38 Ca 0.00 -0.13 -0.12 0.00 1.18 0.00 0.00 52.55 53.49 1cey s ASP 38 Cb 0.00 0.13 0.17 0.00 -0.34 0.00 0.00 42.92 42.88 1cey s ASP 38 CO 0.00 -0.25 1.78 1.23 0.68 0.00 0.00 175.17 178.62 1cey h GLY 39 N 2.00 0.77 0.79 2.12 0.00 -1.93 -0.59 103.07 106.23 1cey h GLY 39 Ca -0.30 -0.18 0.07 0.00 0.00 0.00 0.00 47.33 46.92 1cey h GLY 39 CO 0.29 0.11 0.62 -0.24 0.00 0.00 0.00 176.54 177.32 1cey h VAL 40 N 0.52 1.08 0.09 4.60 3.04 -1.93 0.54 116.25 124.19 1cey h VAL 40 Ca 0.25 -0.38 -0.00 0.00 -1.01 0.00 0.00 66.70 65.55 1cey h VAL 40 Cb 0.17 -0.12 0.00 0.00 -2.01 0.00 0.00 31.29 29.33 1cey h VAL 40 CO -0.18 0.20 -0.04 -0.78 -1.01 0.00 0.00 177.57 175.76 1cey h ASP 41 N 1.10 -0.10 -0.47 3.17 1.82 -1.58 -2.61 116.42 117.75 1cey h ASP 41 Ca 0.41 -0.16 0.09 0.00 -0.39 0.00 0.00 57.03 56.98 1cey h ASP 41 Cb 0.19 0.03 -0.08 0.00 0.68 0.00 0.00 39.33 40.14 1cey h ASP 41 CO -0.16 0.10 -0.03 0.00 -1.61 0.00 0.00 179.24 177.54 1cey h ALA 42 N 0.58 0.41 -0.86 -0.78 0.00 -0.28 0.38 119.26 118.71 1cey h ALA 42 Ca -0.01 0.15 0.22 0.00 0.00 0.00 0.00 54.91 55.27 1cey h ALA 42 Cb 0.26 0.26 -0.14 0.00 0.00 0.00 0.00 17.79 18.18 1cey h ALA 42 CO 0.02 -0.40 0.24 1.25 0.00 0.00 0.00 179.25 180.36 1cey h LEU 43 N 0.08 0.04 -0.04 0.00 5.85 -0.60 2.13 115.31 122.77 1cey h LEU 43 Ca 0.23 0.19 -0.20 0.00 0.84 0.00 0.00 57.88 58.94 1cey h LEU 43 Cb 0.35 0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.59 1cey h LEU 43 CO -0.41 -0.12 -0.95 0.78 -0.34 0.00 0.00 178.44 177.40 1cey h ASN 44 N 0.24 0.00 0.53 1.25 2.35 -0.49 -3.25 115.58 116.21 1cey h ASN 44 Ca 0.53 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.28 1cey h ASN 44 Cb 1.05 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.42 1cey h ASN 44 CO -0.62 0.95 -0.50 1.17 -1.65 0.00 0.00 177.43 176.77 1cey n LYS 45 N -3.36 0.02 0.00 0.81 4.81 0.11 -3.68 118.16 116.86 1cey n LYS 45 Ca 0.00 0.00 0.08 0.00 -0.87 0.00 0.00 58.31 57.53 1cey n LYS 45 Cb 0.91 -1.51 0.41 0.00 0.02 0.00 0.00 35.03 34.86 1cey n LYS 45 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1cey n LEU 46 N -1.54 0.00 0.01 3.14 7.99 0.69 -1.51 117.00 125.78 1cey n LEU 46 Ca 0.05 0.32 0.11 0.00 -0.01 0.00 0.00 56.01 56.48 1cey n LEU 46 Cb 0.34 -0.32 0.01 0.00 -0.11 0.00 0.00 43.42 43.35 1cey n LEU 46 CO 0.35 -0.14 0.02 1.67 -1.51 0.00 0.00 177.39 177.77 1cey n GLN 47 N -1.32 0.20 -0.06 3.23 -0.06 -1.24 -3.30 117.38 114.83 1cey n GLN 47 Ca 0.07 -0.01 -0.04 0.00 -2.00 0.00 0.00 57.00 55.02 1cey n GLN 47 Cb 0.14 -1.55 -0.03 0.00 -4.06 0.00 0.00 30.24 24.74 1cey n GLN 47 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1cey h ALA 48 N 2.69 -0.41 0.00 1.69 0.00 -1.49 -3.38 119.26 118.36 1cey h ALA 48 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1cey h ALA 48 Cb 0.66 0.89 0.00 0.00 0.00 0.00 0.00 17.79 19.34 1cey h ALA 48 CO 0.00 -0.51 0.00 0.41 0.00 0.00 0.00 179.25 179.15 1cey n GLY 49 N -1.12 -1.29 1.83 0.00 0.00 -1.26 -5.07 105.19 98.28 1cey n GLY 49 Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.00 1cey n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cey n GLY 50 N 0.00 -1.87 3.77 -0.02 0.00 -1.21 -4.94 105.19 100.93 1cey n GLY 50 Ca 0.00 0.11 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 1cey n GLY 50 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1cey s TYR 51 N -0.98 2.83 -1.76 1.61 1.51 -1.26 -4.88 117.35 114.42 1cey s TYR 51 Ca 0.04 1.21 0.29 0.00 -1.01 0.00 0.00 57.07 57.59 1cey s TYR 51 Cb -0.01 -3.87 1.20 0.00 -0.11 0.00 0.00 41.96 39.17 1cey s TYR 51 CO 0.20 -2.57 1.84 0.41 -1.11 0.00 0.00 175.55 174.31 1cey n GLY 52 N 0.95 -0.82 3.04 0.71 0.00 -1.05 -4.68 105.19 103.34 1cey n GLY 52 Ca 0.02 -0.29 0.03 0.00 0.00 0.00 0.00 46.02 45.77 1cey n GLY 52 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1cey s PHE 53 N -2.40 -0.96 0.01 1.61 2.19 -0.63 -4.01 117.98 113.78 1cey s PHE 53 Ca 0.30 0.33 -0.11 0.00 0.33 0.00 0.00 56.93 57.78 1cey s PHE 53 Cb 0.20 0.17 -0.05 0.00 -1.31 0.00 0.00 43.02 42.03 1cey s PHE 53 CO 0.46 -0.61 0.36 0.14 1.83 0.00 0.00 175.22 177.40 1cey s VAL 54 N 2.35 5.14 -0.41 3.12 -7.23 -1.08 -2.61 120.40 119.68 1cey s VAL 54 Ca 0.18 0.58 0.04 0.00 -1.81 0.00 0.00 61.98 60.97 1cey s VAL 54 Cb -0.02 -3.64 0.11 0.00 0.56 0.00 0.00 36.38 33.40 1cey s VAL 54 CO -0.17 0.48 0.13 -0.63 -0.31 0.00 0.00 175.10 174.60 1cey s ILE 55 N -1.19 2.41 0.53 -0.62 1.01 0.11 -2.43 121.20 121.02 1cey s ILE 55 Ca 0.26 -2.71 0.05 0.00 0.00 0.00 0.00 60.65 58.25 1cey s ILE 55 Cb -0.15 -2.74 0.02 0.00 0.01 0.00 0.00 42.46 39.61 1cey s ILE 55 CO 0.14 -0.68 0.34 -0.44 0.00 0.00 0.00 174.94 174.30 1cey s SER 56 N 0.47 4.58 0.00 3.58 0.01 -1.26 -1.65 113.70 119.42 1cey s SER 56 Ca 0.13 -1.26 0.00 0.00 1.31 0.00 0.00 55.95 56.13 1cey s SER 56 Cb -0.22 0.33 0.00 0.00 0.21 0.00 0.00 66.02 66.34 1cey s SER 56 CO -0.05 -1.02 0.00 0.47 0.41 0.00 0.00 173.24 173.05 1cey n ASP 57 N -1.66 0.00 -2.57 2.44 9.92 -1.20 -1.56 116.55 121.92 1cey n ASP 57 Ca -0.03 0.00 -0.10 0.00 -0.53 0.00 0.00 54.79 54.12 1cey n ASP 57 Cb 0.64 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 41.10 1cey n ASP 57 CO 0.00 0.00 0.00 1.87 0.13 0.00 0.00 177.20 179.20 1cey n TRP 58 N 0.00 0.17 -1.98 1.24 -0.00 -1.24 -3.55 117.44 112.08 1cey n TRP 58 Ca 0.00 -0.99 -0.37 0.00 -0.00 0.00 0.00 57.50 56.15 1cey n TRP 58 Cb 0.00 -0.04 -0.01 0.00 -0.00 0.00 0.00 31.31 31.26 1cey n TRP 58 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 177.69 177.96 1cey n ASN 59 N -1.64 7.39 -0.01 5.87 6.94 -1.26 -4.63 115.26 127.92 1cey n ASN 59 Ca -0.04 -3.38 -0.17 0.00 -0.02 0.00 0.00 54.58 50.98 1cey n ASN 59 Cb 0.24 -1.24 -0.11 0.00 -2.36 0.00 0.00 39.78 36.30 1cey n ASN 59 CO 0.00 0.00 0.00 -0.03 -1.03 0.00 0.00 177.26 176.20 1cey h MET 60 N 3.83 0.31 -0.27 -3.83 4.05 -2.01 -3.33 114.93 113.68 1cey h MET 60 Ca 0.56 -0.34 -0.07 0.00 -0.28 0.00 0.00 59.70 59.58 1cey h MET 60 Cb 0.38 0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 31.27 1cey h MET 60 CO 1.24 1.03 -0.09 -1.00 0.23 0.00 0.00 176.91 178.32 1cey h PRO 61 N -0.27 0.54 -2.51 0.39 0.14 -2.00 -3.47 132.00 124.82 1cey h PRO 61 Ca -0.06 -0.22 0.06 0.00 0.14 0.00 0.00 66.00 65.93 1cey h PRO 61 Cb 1.19 -0.03 -0.14 0.00 0.14 0.00 0.00 31.00 32.16 1cey h PRO 61 CO 0.09 0.76 0.40 0.54 0.14 0.00 0.00 178.00 179.93 1cey s ASN 62 N -6.17 -0.44 0.01 1.44 6.03 -1.25 -5.11 114.94 109.46 1cey s ASN 62 Ca -0.13 0.01 -0.30 0.00 -1.03 0.00 0.00 52.86 51.41 1cey s ASN 62 Cb 0.08 0.46 -0.09 0.00 -3.03 0.00 0.00 41.25 38.67 1cey s ASN 62 CO 0.78 -0.73 2.00 1.15 -2.03 0.00 0.00 177.10 178.26 1cey n MET 63 N -0.27 2.77 0.04 3.55 -0.00 -1.26 -4.41 117.12 117.53 1cey n MET 63 Ca -0.12 1.00 0.00 0.00 -0.00 0.00 0.00 57.70 58.58 1cey n MET 63 Cb 0.63 -3.01 0.00 0.00 -0.00 0.00 0.00 33.22 30.83 1cey n MET 63 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 1cey n ASP 64 N 7.86 -0.63 -0.26 3.17 2.03 -1.26 -4.95 116.55 122.51 1cey n ASP 64 Ca 0.21 0.41 0.04 0.00 0.52 0.00 0.00 54.79 55.97 1cey n ASP 64 Cb 0.41 0.89 0.10 0.00 -0.72 0.00 0.00 41.12 41.79 1cey n ASP 64 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1cey n GLY 65 N -1.22 -1.20 0.31 0.27 0.00 -1.26 0.19 105.19 102.28 1cey n GLY 65 Ca 0.00 0.76 -0.11 0.00 0.00 0.00 0.00 46.02 46.67 1cey n GLY 65 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1cey h LEU 66 N 0.00 -0.63 -0.68 0.99 6.46 -1.93 -2.35 115.31 117.17 1cey h LEU 66 Ca 0.34 0.02 0.00 0.00 -0.12 0.00 0.00 57.88 58.12 1cey h LEU 66 Cb 0.52 0.16 0.00 0.00 -0.73 0.00 0.00 40.66 40.61 1cey h LEU 66 CO -0.73 -0.25 0.17 1.21 -0.62 0.00 0.00 178.44 178.22 1cey n GLU 67 N -5.12 0.07 0.07 1.25 2.13 0.35 -1.08 120.64 118.31 1cey n GLU 67 Ca -0.09 0.51 -0.11 0.00 0.66 0.00 0.00 57.16 58.13 1cey n GLU 67 Cb 0.29 -1.89 -0.07 0.00 0.27 0.00 0.00 31.44 30.04 1cey n GLU 67 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 1cey h LEU 68 N 0.00 -0.22 -0.97 4.31 5.85 0.27 0.66 115.31 125.20 1cey h LEU 68 Ca 0.00 -0.30 -0.05 0.00 0.84 0.00 0.00 57.88 58.37 1cey h LEU 68 Cb 0.34 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.40 1cey h LEU 68 CO 0.00 0.31 0.13 0.17 -0.34 0.00 0.00 178.44 178.71 1cey h LEU 69 N -0.88 0.82 0.40 2.25 8.10 -0.85 -0.02 115.31 125.13 1cey h LEU 69 Ca -0.03 -0.15 -0.02 0.00 0.11 0.00 0.00 57.88 57.79 1cey h LEU 69 Cb 0.51 -0.21 0.00 0.00 -0.44 0.00 0.00 40.66 40.52 1cey h LEU 69 CO 0.04 0.81 -0.19 0.50 -4.11 0.00 0.00 178.44 175.49 1cey h LYS 70 N 0.84 -0.52 -0.70 0.17 3.64 -1.40 -0.37 116.57 118.23 1cey h LYS 70 Ca 0.18 0.04 0.10 0.00 -1.27 0.00 0.00 60.65 59.70 1cey h LYS 70 Cb 0.31 0.12 -0.07 0.00 -0.41 0.00 0.00 32.23 32.18 1cey h LYS 70 CO -0.00 -0.24 0.33 1.79 -2.27 0.00 0.00 179.45 179.06 1cey h THR 71 N -0.76 0.82 0.00 1.00 1.35 -0.70 0.87 112.91 115.50 1cey h THR 71 Ca -0.06 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 65.61 1cey h THR 71 Cb 0.52 0.21 0.00 0.00 -1.73 0.00 0.00 68.15 67.15 1cey h THR 71 CO 0.09 0.10 0.00 0.40 -0.25 0.00 0.00 175.52 175.86 1cey h ILE 72 N 0.56 0.00 0.09 6.82 2.04 -0.77 -2.10 117.51 124.15 1cey h ILE 72 Ca 0.35 -0.18 -0.34 0.00 1.00 0.00 0.00 64.86 65.70 1cey h ILE 72 Cb 0.40 1.12 -0.03 0.00 -0.74 0.00 0.00 36.82 37.57 1cey h ILE 72 CO -0.29 0.00 -1.85 -0.09 0.00 0.00 0.00 178.15 175.92 1cey h ARG 73 N 0.00 0.18 -0.39 2.37 1.12 0.23 -3.35 114.38 114.55 1cey h ARG 73 Ca 0.00 -0.31 0.00 0.00 -1.11 0.00 0.00 59.98 58.56 1cey h ARG 73 Cb 0.19 0.12 -0.02 0.00 -0.01 0.00 0.00 29.97 30.25 1cey h ARG 73 CO 0.00 0.98 0.25 0.00 -3.11 0.00 0.00 179.97 178.08 1cey h ALA 74 N 0.42 1.71 -2.12 2.80 0.00 0.31 -3.39 119.26 118.98 1cey h ALA 74 Ca -0.36 -0.03 -0.60 0.00 0.00 0.00 0.00 54.91 53.92 1cey h ALA 74 Cb 2.03 -0.16 0.14 0.00 0.00 0.00 0.00 17.79 19.80 1cey h ALA 74 CO 0.10 0.27 -0.29 -3.47 0.00 0.00 0.00 179.25 175.86 1cey n ASP 75 N -4.47 -0.46 -0.10 0.00 2.03 -1.07 -4.86 116.55 107.61 1cey n ASP 75 Ca 0.03 0.93 -0.12 0.00 0.52 0.00 0.00 54.79 56.14 1cey n ASP 75 Cb 0.07 -1.16 -0.13 0.00 -0.72 0.00 0.00 41.12 39.17 1cey n ASP 75 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1cey n GLY 76 N 1.67 -0.69 0.36 0.27 0.00 -1.26 -2.16 105.19 103.37 1cey n GLY 76 Ca 0.11 -0.25 0.18 0.00 0.00 0.00 0.00 46.02 46.06 1cey n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cey h ALA 77 N 0.55 2.07 0.00 4.61 0.00 -1.98 -3.37 119.26 121.15 1cey h ALA 77 Ca -0.52 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1cey h ALA 77 Cb 2.03 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.84 1cey h ALA 77 CO -0.02 -0.46 -0.06 -1.33 0.00 0.00 0.00 179.25 177.38 1cey n MET 78 N -3.96 0.00 -1.74 0.00 2.81 -1.26 -4.99 117.12 107.97 1cey n MET 78 Ca 0.05 0.00 -0.07 0.00 -1.81 0.00 0.00 57.70 55.87 1cey n MET 78 Cb 0.46 -0.07 -0.02 0.00 -0.71 0.00 0.00 33.22 32.88 1cey n MET 78 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1cey n SER 79 N -3.11 -2.22 0.00 7.83 7.64 -0.92 -4.53 113.62 118.31 1cey n SER 79 Ca 0.00 0.24 0.00 0.00 1.01 0.00 0.00 58.87 60.12 1cey n SER 79 Cb 0.03 -2.14 0.00 0.00 -1.01 0.00 0.00 64.21 61.09 1cey n SER 79 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1cey n ALA 80 N -1.11 0.36 -1.60 -0.43 0.00 -1.26 -4.82 120.51 111.65 1cey n ALA 80 Ca -0.08 -0.09 -0.48 0.00 0.00 0.00 0.00 53.44 52.79 1cey n ALA 80 Cb 0.38 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.77 1cey n ALA 80 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1cey n LEU 81 N 0.00 2.99 -4.75 0.00 4.77 -1.26 -4.85 117.00 113.91 1cey n LEU 81 Ca 0.00 0.67 -0.42 0.00 -0.03 0.00 0.00 56.01 56.23 1cey n LEU 81 Cb 0.34 -1.36 -0.02 0.00 -2.33 0.00 0.00 43.42 40.05 1cey n LEU 81 CO 0.00 -0.38 1.26 -2.16 -1.33 0.00 0.00 177.39 174.78 1cey s PRO 82 N 5.12 4.12 -0.19 3.23 0.04 -1.26 -4.87 135.00 141.20 1cey s PRO 82 Ca 0.99 2.58 -0.00 0.00 0.04 0.00 0.00 61.00 64.61 1cey s PRO 82 Cb -0.69 -3.03 0.05 0.00 0.04 0.00 0.00 34.50 30.87 1cey s PRO 82 CO 0.48 -0.65 -0.04 0.08 0.04 0.00 0.00 177.00 176.91 1cey s VAL 83 N 0.12 1.17 -0.66 -0.36 1.01 -1.26 -2.65 120.40 117.77 1cey s VAL 83 Ca 0.64 -0.81 -0.16 0.00 0.00 0.00 0.00 61.98 61.65 1cey s VAL 83 Cb -0.48 -1.42 0.15 0.00 0.00 0.00 0.00 36.38 34.63 1cey s VAL 83 CO 0.46 0.02 0.67 -0.22 0.00 0.00 0.00 175.10 176.03 1cey s LEU 84 N 1.58 6.06 0.48 3.92 2.96 -1.02 -0.69 118.68 131.97 1cey s LEU 84 Ca -0.02 -1.97 -0.24 0.00 -0.22 0.00 0.00 54.13 51.69 1cey s LEU 84 Cb -0.17 -2.25 -0.07 0.00 0.50 0.00 0.00 46.19 44.21 1cey s LEU 84 CO -0.07 -0.86 1.39 -0.32 -1.32 0.00 0.00 176.35 175.16 1cey s MET 85 N 1.57 3.52 0.02 1.98 -2.45 -0.90 -4.00 119.30 119.04 1cey s MET 85 Ca 0.12 2.32 0.03 0.00 -1.25 0.00 0.00 55.69 56.90 1cey s MET 85 Cb -0.21 -2.52 -0.02 0.00 1.25 0.00 0.00 34.83 33.33 1cey s MET 85 CO -0.00 -0.91 -0.09 0.08 1.05 0.00 0.00 175.02 175.14 1cey s VAL 86 N -1.25 0.71 0.17 10.11 1.01 -0.60 -2.31 120.40 128.24 1cey s VAL 86 Ca 0.64 -0.77 -0.12 0.00 0.00 0.00 0.00 61.98 61.74 1cey s VAL 86 Cb -0.42 -0.67 0.00 0.00 0.00 0.00 0.00 36.38 35.30 1cey s VAL 86 CO 0.52 -0.08 0.36 0.28 0.00 0.00 0.00 175.10 176.18 1cey s THR 87 N -0.78 0.05 -0.36 3.92 -1.32 -1.01 -3.60 115.64 112.55 1cey s THR 87 Ca -0.02 -1.20 0.06 0.00 -1.21 0.00 0.00 61.69 59.32 1cey s THR 87 Cb -0.07 -1.76 0.46 0.00 -1.51 0.00 0.00 72.50 69.63 1cey s THR 87 CO 0.00 -0.25 1.38 0.00 -2.21 0.00 0.00 174.62 173.55 1cey n ALA 88 N -0.25 5.09 0.00 11.08 0.00 -1.26 0.95 120.51 136.12 1cey n ALA 88 Ca -0.08 -3.62 0.00 0.00 0.00 0.00 0.00 53.44 49.73 1cey n ALA 88 Cb 0.63 -0.64 0.00 0.00 0.00 0.00 0.00 19.45 19.44 1cey n ALA 88 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1cey n GLU 89 N -0.83 0.00 -3.21 0.00 1.02 -1.26 -4.97 120.64 111.40 1cey n GLU 89 Ca 0.45 0.00 -0.16 0.00 -0.02 0.00 0.00 57.16 57.42 1cey n GLU 89 Cb 0.90 0.00 0.02 0.00 -0.02 0.00 0.00 31.44 32.34 1cey n GLU 89 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1cey n ALA 90 N -1.71 -2.43 1.03 0.62 0.00 -1.26 -4.71 120.51 112.05 1cey n ALA 90 Ca 0.00 0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.78 1cey n ALA 90 Cb 0.00 -1.65 0.00 0.00 0.00 0.00 0.00 19.45 17.80 1cey n ALA 90 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1cey n LYS 91 N 0.45 0.77 0.00 0.00 3.00 -1.26 -4.81 118.16 116.31 1cey n LYS 91 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.29 1cey n LYS 91 Cb 0.50 -1.26 0.00 0.00 0.00 0.00 0.00 35.03 34.28 1cey n LYS 91 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1cey n LYS 92 N -0.09 0.00 -0.02 1.64 4.81 -1.26 -4.47 118.16 118.76 1cey n LYS 92 Ca 0.00 0.00 -0.16 0.00 -0.87 0.00 0.00 58.31 57.28 1cey n LYS 92 Cb 0.13 -0.05 -0.10 0.00 0.02 0.00 0.00 35.03 35.03 1cey n LYS 92 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 1cey h GLU 93 N 0.00 0.37 0.00 1.64 4.57 -2.00 -2.98 114.58 116.18 1cey h GLU 93 Ca 0.00 -0.34 0.00 0.00 -1.18 0.00 0.00 59.36 57.84 1cey h GLU 93 Cb 0.00 0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.67 1cey h GLU 93 CO 0.00 0.99 0.00 0.09 -1.18 0.00 0.00 179.01 178.91 1cey n ASN 94 N -4.34 0.00 -0.06 1.04 3.02 -1.26 -3.05 115.26 110.61 1cey n ASN 94 Ca -0.09 -0.13 -0.04 0.00 -0.03 0.00 0.00 54.58 54.29 1cey n ASN 94 Cb 0.57 -0.24 -0.03 0.00 -0.61 0.00 0.00 39.78 39.47 1cey n ASN 94 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1cey h ILE 95 N 0.00 0.44 0.00 2.41 2.04 -1.86 -3.20 117.51 117.34 1cey h ILE 95 Ca 0.00 -1.33 0.00 0.00 1.00 0.00 0.00 64.86 64.53 1cey h ILE 95 Cb 0.17 0.83 0.00 0.00 -0.74 0.00 0.00 36.82 37.08 1cey h ILE 95 CO 0.00 0.15 0.00 -0.38 0.00 0.00 0.00 178.15 177.92 1cey n ILE 96 N -4.73 0.00 -0.02 -0.67 5.41 -1.20 -2.57 119.36 115.57 1cey n ILE 96 Ca -0.03 0.00 -0.17 0.00 1.00 0.00 0.00 62.75 63.55 1cey n ILE 96 Cb 0.12 -0.66 -0.14 0.00 -0.71 0.00 0.00 39.64 38.26 1cey n ILE 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1cey h ALA 97 N 2.64 -0.02 0.03 -1.39 0.00 -1.53 -0.74 119.26 118.25 1cey h ALA 97 Ca 0.00 -0.63 -0.00 0.00 0.00 0.00 0.00 54.91 54.27 1cey h ALA 97 Cb 0.00 0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1cey h ALA 97 CO 0.00 0.22 -0.02 0.00 0.00 0.00 0.00 179.25 179.45 1cey h ALA 98 N 0.01 -0.04 0.00 0.00 0.00 -1.57 -2.86 119.26 114.80 1cey h ALA 98 Ca -0.09 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.56 1cey h ALA 98 Cb 1.31 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.11 1cey h ALA 98 CO 0.06 -0.26 -0.02 0.00 0.00 0.00 0.00 179.25 179.03 1cey h ALA 99 N 0.35 1.55 -0.79 0.00 0.00 -1.67 0.20 119.26 118.89 1cey h ALA 99 Ca -0.00 -0.02 0.19 0.00 0.00 0.00 0.00 54.91 55.08 1cey h ALA 99 Cb 0.53 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.27 1cey h ALA 99 CO 0.01 0.02 0.54 1.96 0.00 0.00 0.00 179.25 181.78 1cey h GLN 100 N 0.00 0.26 0.00 0.00 1.08 -0.88 2.83 115.11 118.41 1cey h GLN 100 Ca -0.00 -0.02 -0.09 0.00 -1.45 0.00 0.00 58.65 57.10 1cey h GLN 100 Cb 0.05 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.40 1cey h GLN 100 CO 0.00 0.17 -0.91 0.00 -0.95 0.00 0.00 178.83 177.14 1cey h ALA 101 N 1.63 0.66 -4.30 3.87 0.00 -0.72 -3.49 119.26 116.91 1cey h ALA 101 Ca 0.40 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1cey h ALA 101 Cb 1.14 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1cey h ALA 101 CO -0.10 0.48 -0.16 0.41 0.00 0.00 0.00 179.25 179.88 1cey n GLY 102 N 1.26 -0.95 0.00 0.00 0.00 0.95 -4.97 105.19 101.48 1cey n GLY 102 Ca -0.03 0.45 0.00 0.00 0.00 0.00 0.00 46.02 46.44 1cey n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cey n ALA 103 N -0.85 0.00 -0.10 4.61 0.00 -1.26 -4.96 120.51 117.96 1cey n ALA 103 Ca 0.04 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.25 1cey n ALA 103 Cb 0.36 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.70 1cey n ALA 103 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1cey n SER 104 N 0.00 1.90 0.00 0.00 7.64 0.13 -4.71 113.62 118.59 1cey n SER 104 Ca 0.00 0.38 0.00 0.00 1.01 0.00 0.00 58.87 60.26 1cey n SER 104 Cb 0.00 -0.92 0.00 0.00 -1.01 0.00 0.00 64.21 62.28 1cey n SER 104 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1cey n GLY 105 N 1.46 -0.52 3.05 0.23 0.00 -1.23 -4.95 105.19 103.23 1cey n GLY 105 Ca -0.36 -0.92 -0.13 0.00 0.00 0.00 0.00 46.02 44.61 1cey n GLY 105 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1cey s TYR 106 N -3.03 -0.21 -0.03 1.61 5.04 -1.26 -2.12 117.35 117.35 1cey s TYR 106 Ca 0.00 0.53 0.02 0.00 -2.44 0.00 0.00 57.07 55.18 1cey s TYR 106 Cb 0.00 0.05 0.00 0.00 0.35 0.00 0.00 41.96 42.36 1cey s TYR 106 CO 0.00 -0.12 -0.09 0.54 -1.34 0.00 0.00 175.55 174.53 1cey s VAL 107 N 0.37 0.83 -0.75 3.14 0.11 -0.98 -5.00 120.40 118.12 1cey s VAL 107 Ca -0.02 -0.37 -0.21 0.00 -2.93 0.00 0.00 61.98 58.45 1cey s VAL 107 Cb -0.04 -0.74 0.09 0.00 -1.53 0.00 0.00 36.38 34.16 1cey s VAL 107 CO -0.02 0.26 1.00 0.54 -3.33 0.00 0.00 175.10 173.56 1cey s VAL 108 N 0.27 4.51 0.79 2.04 0.11 -1.26 -2.40 120.40 124.46 1cey s VAL 108 Ca -0.05 -0.85 -0.14 0.00 -2.93 0.00 0.00 61.98 58.02 1cey s VAL 108 Cb -0.10 -4.70 0.07 0.00 -1.53 0.00 0.00 36.38 30.12 1cey s VAL 108 CO 0.01 -1.45 1.20 -1.59 -3.33 0.00 0.00 175.10 169.94 1cey s LYS 109 N 3.47 1.75 0.59 1.54 0.00 0.27 -4.47 119.74 122.88 1cey s LYS 109 Ca 0.25 1.74 -0.16 0.00 0.00 0.00 0.00 55.97 57.80 1cey s LYS 109 Cb -0.13 -1.79 -0.04 0.00 0.00 0.00 0.00 37.83 35.87 1cey s LYS 109 CO 0.03 -2.13 1.06 -1.25 0.00 0.00 0.00 175.35 173.06 1cey s PRO 110 N -4.11 3.36 0.08 1.78 0.05 -1.26 -4.24 135.00 130.66 1cey s PRO 110 Ca 0.73 1.21 0.02 0.00 0.05 0.00 0.00 61.00 63.01 1cey s PRO 110 Cb -0.28 -2.04 -0.04 0.00 0.05 0.00 0.00 34.50 32.19 1cey s PRO 110 CO 0.50 -0.78 -0.08 -0.59 0.05 0.00 0.00 177.00 176.10 1cey s PHE 111 N -2.43 0.87 0.22 0.56 -0.12 -1.26 -5.08 117.98 110.73 1cey s PHE 111 Ca 0.64 -0.76 -0.09 0.00 -0.05 0.00 0.00 56.93 56.67 1cey s PHE 111 Cb -0.16 -0.50 -0.07 0.00 -0.63 0.00 0.00 43.02 41.66 1cey s PHE 111 CO 0.36 -0.10 0.53 0.99 -0.05 0.00 0.00 175.22 176.95 1cey s THR 112 N -2.82 4.95 0.43 -4.49 2.01 -1.26 -4.79 115.64 109.67 1cey s THR 112 Ca 0.05 0.43 0.21 0.00 0.31 0.00 0.00 61.69 62.69 1cey s THR 112 Cb -0.00 -3.62 0.41 0.00 0.01 0.00 0.00 72.50 69.30 1cey s THR 112 CO -0.03 -0.06 1.80 0.00 -0.69 0.00 0.00 174.62 175.65 1cey h ALA 113 N 2.57 2.35 0.00 7.40 0.00 -1.98 1.79 119.26 131.39 1cey h ALA 113 Ca -0.47 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.38 1cey h ALA 113 Cb 1.17 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1cey h ALA 113 CO 0.69 -0.71 -0.48 0.00 0.00 0.00 0.00 179.25 178.76 1cey h ALA 114 N 1.59 1.11 0.10 0.00 0.00 -1.97 0.83 119.26 120.92 1cey h ALA 114 Ca 0.55 -0.43 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1cey h ALA 114 Cb 1.51 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.22 1cey h ALA 114 CO -0.22 0.59 -0.05 1.15 0.00 0.00 0.00 179.25 180.73 1cey h THR 115 N 0.00 0.00 -1.01 0.00 2.02 0.23 0.26 112.91 114.40 1cey h THR 115 Ca -0.00 -0.38 0.24 0.00 0.77 0.00 0.00 66.41 67.04 1cey h THR 115 Cb 0.90 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 67.21 1cey h THR 115 CO 0.06 0.00 0.65 0.25 0.37 0.00 0.00 175.52 176.85 1cey h LEU 116 N -0.51 0.50 0.22 2.58 6.46 -0.90 -0.12 115.31 123.54 1cey h LEU 116 Ca -0.01 0.08 -0.01 0.00 -0.12 0.00 0.00 57.88 57.82 1cey h LEU 116 Cb 0.10 -0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.03 1cey h LEU 116 CO 0.02 0.13 -0.11 -0.08 -0.62 0.00 0.00 178.44 177.78 1cey h GLU 117 N 0.46 -0.29 -0.68 1.25 4.22 -0.85 -0.18 114.58 118.51 1cey h GLU 117 Ca 0.58 0.02 0.20 0.00 0.08 0.00 0.00 59.36 60.23 1cey h GLU 117 Cb 1.35 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.64 1cey h GLU 117 CO -0.30 0.02 0.82 0.93 -2.18 0.00 0.00 179.01 178.30 1cey h GLU 118 N -0.62 0.00 0.00 1.92 4.39 0.14 0.14 114.58 120.55 1cey h GLU 118 Ca -0.03 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.47 1cey h GLU 118 Cb 0.44 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.07 1cey h GLU 118 CO 0.05 0.00 -1.09 0.87 -1.16 0.00 0.00 179.01 177.68 1cey h LYS 119 N 0.00 0.00 -0.18 2.33 1.57 -0.84 -3.30 116.57 116.15 1cey h LYS 119 Ca 0.32 -0.00 0.04 0.00 -1.87 0.00 0.00 60.65 59.14 1cey h LYS 119 Cb 1.96 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 34.20 1cey h LYS 119 CO -0.00 1.00 -0.51 -0.07 -0.57 0.00 0.00 179.45 179.30 1cey h LEU 120 N -1.00 -1.62 -0.51 2.94 3.38 0.11 -2.18 115.31 116.43 1cey h LEU 120 Ca -0.30 0.20 0.05 0.00 0.09 0.00 0.00 57.88 57.92 1cey h LEU 120 Cb 1.27 0.65 -0.08 0.00 0.09 0.00 0.00 40.66 42.58 1cey h LEU 120 CO -0.18 -0.46 -0.49 -1.13 0.09 0.00 0.00 178.44 176.27 1cey h ASN 121 N -0.52 -1.69 -1.41 -0.43 -0.00 -1.44 0.81 115.58 110.90 1cey h ASN 121 Ca 0.06 0.23 0.41 0.00 -0.00 0.00 0.00 56.30 57.00 1cey h ASN 121 Cb 0.66 0.71 -0.06 0.00 -0.00 0.00 0.00 38.32 39.63 1cey h ASN 121 CO -0.46 -0.30 1.04 0.50 -0.00 0.00 0.00 177.43 178.21 1cey h LYS 122 N -0.24 0.00 0.09 6.67 3.64 -1.49 0.58 116.57 125.83 1cey h LYS 122 Ca 0.09 0.00 -0.29 0.00 -1.27 0.00 0.00 60.65 59.18 1cey h LYS 122 Cb 0.46 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 1cey h LYS 122 CO -0.60 0.00 -1.53 0.82 -2.27 0.00 0.00 179.45 175.87 1cey h ILE 123 N 0.00 0.90 0.00 2.00 2.04 0.96 -3.32 117.51 120.10 1cey h ILE 123 Ca 0.67 -2.34 0.00 0.00 1.00 0.00 0.00 64.86 64.19 1cey h ILE 123 Cb 2.74 2.56 0.00 0.00 -0.74 0.00 0.00 36.82 41.39 1cey h ILE 123 CO -0.01 0.68 0.00 0.49 0.00 0.00 0.00 178.15 179.31 1cey n PHE 124 N -3.91 0.00 0.09 1.37 3.72 0.10 -1.60 117.46 117.24 1cey n PHE 124 Ca -0.28 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 56.95 1cey n PHE 124 Cb 0.89 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 39.33 1cey n PHE 124 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 1cey h GLU 125 N 0.00 0.41 0.14 -1.08 4.81 -1.58 -2.47 114.58 114.80 1cey h GLU 125 Ca 0.00 -0.55 -0.29 0.00 -0.13 0.00 0.00 59.36 58.39 1cey h GLU 125 Cb 0.00 0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.57 1cey h GLU 125 CO 0.00 1.22 -1.34 -0.22 -0.73 0.00 0.00 179.01 177.94 1cey h LYS 126 N 0.18 0.29 -0.34 1.92 3.64 -1.55 -3.17 116.57 117.54 1cey h LYS 126 Ca -0.13 -0.49 0.02 0.00 -1.27 0.00 0.00 60.65 58.78 1cey h LYS 126 Cb 1.81 0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 33.80 1cey h LYS 126 CO 0.20 1.21 0.22 1.25 -2.27 0.00 0.00 179.45 180.06 1cey h LEU 127 N 0.08 0.32 -2.89 5.20 7.12 -1.58 -3.47 115.31 120.10 1cey h LEU 127 Ca -0.17 -0.01 0.00 0.00 0.13 0.00 0.00 57.88 57.83 1cey h LEU 127 Cb 2.00 -0.08 0.00 0.00 -0.53 0.00 0.00 40.66 42.05 1cey h LEU 127 CO 0.20 0.23 -0.04 0.61 -0.13 0.00 0.00 178.44 179.30 1cey n GLY 128 N -1.50 -0.64 0.64 3.75 0.00 -0.93 -5.10 105.19 101.41 1cey n GLY 128 Ca 0.03 0.02 0.13 0.00 0.00 0.00 0.00 46.02 46.20 1cey n GLY 128 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47